smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022734287 521048252 /nfs/dbraw/zinc/04/82/52/521048252.db2.gz IVIHMBAZCRCOII-XMMPIXPASA-N 0 1 465.598 2.121 50 10 JECAMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022735840 521203522 /nfs/dbraw/zinc/20/35/22/521203522.db2.gz ONKUNPFHVAOPNM-XMMPIXPASA-N 0 1 458.628 2.345 50 10 JECAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022809473 522241267 /nfs/dbraw/zinc/24/12/67/522241267.db2.gz IKHVPBNDRATFQZ-JOCHJYFZSA-N 0 1 458.006 2.127 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735199 523920490 /nfs/dbraw/zinc/92/04/90/523920490.db2.gz VHSDWFWXIPQHAE-XMMPIXPASA-N 0 1 455.647 2.313 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735142 523920541 /nfs/dbraw/zinc/92/05/41/523920541.db2.gz BVOFNVLIOWXZKM-HSZRJFAPSA-N 0 1 471.552 2.391 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734980 523920698 /nfs/dbraw/zinc/92/06/98/523920698.db2.gz NEPFCVQOKQSJAP-XMMPIXPASA-N 0 1 484.044 2.444 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCN(C)CC3)ccc21 ZINC000022734360 523998418 /nfs/dbraw/zinc/99/84/18/523998418.db2.gz MWAUBWLJZVKGFY-JOCHJYFZSA-N 0 1 457.525 2.001 50 10 JECAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 ZINC000008858039 554754830 /nfs/dbraw/zinc/75/48/30/554754830.db2.gz VNSJMNKYJJXYEV-ICFOKQHNSA-N 0 1 473.624 2.074 50 10 JECAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000020329334 555775241 /nfs/dbraw/zinc/77/52/41/555775241.db2.gz ODWWUPNNXNIDOE-JENJNIGESA-N 0 1 460.490 2.047 50 10 JECAMN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000022665003 555941456 /nfs/dbraw/zinc/94/14/56/555941456.db2.gz OHLRMGBIGLDJLF-OAQYLSRUSA-N 0 1 471.558 2.397 50 10 JECAMN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 ZINC000023080593 556006808 /nfs/dbraw/zinc/00/68/08/556006808.db2.gz XQWKJDMTJBRSHY-NRFANRHFSA-N 0 1 462.616 2.037 50 10 JECAMN COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023080533 556006843 /nfs/dbraw/zinc/00/68/43/556006843.db2.gz AMSQYYKAWFXTJC-OAQYLSRUSA-N 0 1 456.587 2.497 50 10 JECAMN Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016022132 556114718 /nfs/dbraw/zinc/11/47/18/556114718.db2.gz ZLTOLWCUPRACIL-GDNALLQQSA-N 0 1 461.518 2.312 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(OC)c(OC)cc3C)CC2)cc1 ZINC000032937314 556552466 /nfs/dbraw/zinc/55/24/66/556552466.db2.gz CBHKKSBGRWSYLM-UHFFFAOYSA-N 0 1 470.570 2.288 50 10 JECAMN COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O ZINC000036046676 569755666 /nfs/dbraw/zinc/75/56/66/569755666.db2.gz LZHVINLOKNQDCA-SDQBBNPISA-N 0 1 486.384 2.305 50 10 JECAMN CCCC[N@@H+](CC)Cc1c(-c2ccccc2O)[n-]n(C(=O)c2ccccc2S(N)(=O)=O)c1=O ZINC000248234902 570076444 /nfs/dbraw/zinc/07/64/44/570076444.db2.gz MEWUVHBVRUHDIW-GOSISDBHSA-N 0 1 472.567 2.165 50 10 JECAMN CCCC[N@H+](CC)Cc1c([O-])n(C(=O)c2ccccc2S(N)(=O)=O)nc1-c1ccccc1O ZINC000248234902 570076445 /nfs/dbraw/zinc/07/64/45/570076445.db2.gz MEWUVHBVRUHDIW-GOSISDBHSA-N 0 1 472.567 2.165 50 10 JECAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000020611895 195185855 /nfs/dbraw/zinc/18/58/55/195185855.db2.gz LDFXBRDZTOCKRE-GXCDUKDASA-N 0 1 499.523 2.270 50 10 biogenic JECAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000033621909 521700829 /nfs/dbraw/zinc/70/08/29/521700829.db2.gz XNKPMLCSYDSCQQ-WDMNMGCXSA-N 0 1 485.635 2.217 50 10 JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@H+](C)CC3)OCO2 ZINC000020410713 521887446 /nfs/dbraw/zinc/88/74/46/521887446.db2.gz XXYOYPCHRJQHRH-QXSWTLKVSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020410713 521887458 /nfs/dbraw/zinc/88/74/58/521887458.db2.gz XXYOYPCHRJQHRH-QXSWTLKVSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 ZINC000022809556 522248397 /nfs/dbraw/zinc/24/83/97/522248397.db2.gz HNCXXVBFIQHNOL-QFIPXVFZSA-N 0 1 458.006 2.127 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735196 523917246 /nfs/dbraw/zinc/91/72/46/523917246.db2.gz VHSDWFWXIPQHAE-DEOSSOPVSA-N 0 1 455.647 2.313 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735120 523918402 /nfs/dbraw/zinc/91/84/02/523918402.db2.gz CFSBGDSLLXYDDI-QHCPKHFHSA-N 0 1 453.562 2.252 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735166 523919462 /nfs/dbraw/zinc/91/94/62/523919462.db2.gz ITNDZYMRRPTRFM-HSZRJFAPSA-N 0 1 471.552 2.391 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000065001202 524425112 /nfs/dbraw/zinc/42/51/12/524425112.db2.gz LWRJVKPESOLUBW-NRFANRHFSA-N 0 1 452.603 2.339 50 10 JECAMN NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 ZINC000000678103 553751387 /nfs/dbraw/zinc/75/13/87/553751387.db2.gz AXZDWQMSNSOZHK-LDADJPATSA-N 0 1 487.335 2.349 50 10 JECAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 ZINC000009380085 555141924 /nfs/dbraw/zinc/14/19/24/555141924.db2.gz YOPDQZBOZKKOJA-JXAWBTAJSA-N 0 1 487.651 2.383 50 10 JECAMN COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000013425240 555399208 /nfs/dbraw/zinc/39/92/08/555399208.db2.gz BWVSHXWQNQYBSP-DEDYPNTBSA-N 0 1 460.490 2.066 50 10 JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)cc4)C1=O)[N@H+](C)CC3)OCO2 ZINC000020113052 555650518 /nfs/dbraw/zinc/65/05/18/555650518.db2.gz ANTPLNOCOIBJHL-RLGUWMIQSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)cc4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020113052 555650521 /nfs/dbraw/zinc/65/05/21/555650521.db2.gz ANTPLNOCOIBJHL-RLGUWMIQSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1cccc([C@@H]2[NH2+][C@](Cc3cnc[nH]3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1O ZINC000015276767 555892305 /nfs/dbraw/zinc/89/23/05/555892305.db2.gz ZXWDWYSITBIUGA-RAZUEPIFSA-N 0 1 496.907 2.294 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(OC)c1 ZINC000022937854 555991100 /nfs/dbraw/zinc/99/11/00/555991100.db2.gz IMZDLMDYGOUOPP-OAQYLSRUSA-N 0 1 462.616 2.037 50 10 JECAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015959449 556091512 /nfs/dbraw/zinc/09/15/12/556091512.db2.gz LDFXBRDZTOCKRE-BMEWAZJXSA-N 0 1 499.523 2.270 50 10 biogenic JECAMN Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016022133 556114654 /nfs/dbraw/zinc/11/46/54/556114654.db2.gz ZLTOLWCUPRACIL-MPWBWRNSSA-N 0 1 461.518 2.312 50 10 JECAMN COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414629 569599983 /nfs/dbraw/zinc/59/99/83/569599983.db2.gz BDGZHTFTFQLETJ-QHCPKHFHSA-N 0 1 466.538 2.307 50 10 JECAMN COc1ccc(N2CCN(C(=O)CC[C@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)cc1 ZINC000002966815 194184367 /nfs/dbraw/zinc/18/43/67/194184367.db2.gz PCQWRSINGFOVDL-HXUWFJFHSA-N 0 1 463.563 2.492 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)CCCN3c4cc(C)nn4CCC3=O)CC2)cc1 ZINC000020944006 195256382 /nfs/dbraw/zinc/25/63/82/195256382.db2.gz YYYMQKCCTZDCQN-UHFFFAOYSA-N 0 1 468.602 2.046 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCN(C)CC3)ccc21 ZINC000022734345 523998029 /nfs/dbraw/zinc/99/80/29/523998029.db2.gz HEXCJISGDKDICX-DEOSSOPVSA-N 0 1 453.631 2.090 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022734501 523999336 /nfs/dbraw/zinc/99/93/36/523999336.db2.gz MIPKVOFYRFGTNB-QHCPKHFHSA-N 0 1 470.017 2.053 50 10 JECAMN CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CCN(C)CC3)ccc21 ZINC000022735864 523999415 /nfs/dbraw/zinc/99/94/15/523999415.db2.gz ZAEIQJIGRRCWHX-NRFANRHFSA-N 0 1 450.555 2.224 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)c4cccn4c4cccnc43)CC2)cc1 ZINC000020512723 524424655 /nfs/dbraw/zinc/42/46/55/524424655.db2.gz AYGKGTOQBKIFLP-UHFFFAOYSA-N 0 1 488.592 2.376 50 10 JECAMN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734971 524490335 /nfs/dbraw/zinc/49/03/35/524490335.db2.gz QJFSPUZQXRFICL-VWLOTQADSA-N 0 1 463.626 2.099 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC ZINC000022735553 525062542 /nfs/dbraw/zinc/06/25/42/525062542.db2.gz DDGDUALLJKPRNO-QHCPKHFHSA-N 0 1 488.654 2.353 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C ZINC000022735822 525063910 /nfs/dbraw/zinc/06/39/10/525063910.db2.gz XBBIONZWCLWYCF-HSZRJFAPSA-N 0 1 458.628 2.263 50 10 JECAMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000002398578 554184158 /nfs/dbraw/zinc/18/41/58/554184158.db2.gz XMUJTSUSXWGJEM-ZPBCLNFZSA-N 0 1 462.531 2.482 50 10 JECAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000002797336 554351261 /nfs/dbraw/zinc/35/12/61/554351261.db2.gz ANVMNULOTKTXSU-UHFFFAOYSA-N 0 1 450.856 2.256 50 10 JECAMN COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccccc3NC(C)=O)C2=O)cc1OC ZINC000009293496 555069230 /nfs/dbraw/zinc/06/92/30/555069230.db2.gz QOHPGBNXTMCGOY-DTQAZKPQSA-N 0 1 452.467 2.279 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000009519944 555318598 /nfs/dbraw/zinc/31/85/98/555318598.db2.gz RQYFCGUPUCNTNZ-HXUWFJFHSA-N 0 1 451.571 2.312 50 10 JECAMN COc1cc(N2C(=O)C(=CNc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc(OC)c1OC ZINC000013801309 555621805 /nfs/dbraw/zinc/62/18/05/555621805.db2.gz BXGFHJQQZRAMAB-LFIBNONCSA-N 0 1 470.507 2.415 50 10 JECAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548541 555806699 /nfs/dbraw/zinc/80/66/99/555806699.db2.gz NZWAHZQUPJZOFJ-AYFLJRIOSA-N 0 1 453.470 2.000 50 10 JECAMN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000022665006 555941516 /nfs/dbraw/zinc/94/15/16/555941516.db2.gz OHLRMGBIGLDJLF-NRFANRHFSA-N 0 1 471.558 2.397 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC ZINC000023080597 556007073 /nfs/dbraw/zinc/00/70/73/556007073.db2.gz RIHLIENNUUKHBQ-NRFANRHFSA-N 0 1 462.616 2.037 50 10 JECAMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000023857692 556093287 /nfs/dbraw/zinc/09/32/87/556093287.db2.gz UKKSFOPWKDLFHE-JOCHJYFZSA-N 0 1 467.639 2.444 50 10 JECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016022055 556114366 /nfs/dbraw/zinc/11/43/66/556114366.db2.gz OKOCAXPIBDFVIT-DUHPJZPXSA-N 0 1 465.481 2.143 50 10 JECAMN CCN(CCO)c1ccc(NC=C2C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000018159301 556296238 /nfs/dbraw/zinc/29/62/38/556296238.db2.gz SAVJYQCJXUXDCM-NBVRZTHBSA-N 0 1 470.551 2.266 50 10 JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4C)C1=O)[N@H+](C)CC3)OCO2 ZINC000019361989 556345255 /nfs/dbraw/zinc/34/52/55/556345255.db2.gz YPFSTCHJONPCIR-QMJOVRGKSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000019361989 556345259 /nfs/dbraw/zinc/34/52/59/556345259.db2.gz YPFSTCHJONPCIR-QMJOVRGKSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)cc1 ZINC000066165854 569677059 /nfs/dbraw/zinc/67/70/59/569677059.db2.gz PMTIWRPLQBVEMR-UHFFFAOYSA-N 0 1 488.592 2.295 50 10 in-vitro JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000020410723 520077443 /nfs/dbraw/zinc/07/74/43/520077443.db2.gz NUISROJODGIQFP-TXQCQQFXSA-N 0 1 472.542 2.085 50 10 JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000020410723 520077450 /nfs/dbraw/zinc/07/74/50/520077450.db2.gz NUISROJODGIQFP-TXQCQQFXSA-N 0 1 472.542 2.085 50 10 JECAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022809465 522248068 /nfs/dbraw/zinc/24/80/68/522248068.db2.gz IKHVPBNDRATFQZ-QFIPXVFZSA-N 0 1 458.006 2.127 50 10 JECAMN COCCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000016182949 523331473 /nfs/dbraw/zinc/33/14/73/523331473.db2.gz RLEKCSQOKFAAPW-UNOMPAQXSA-N 0 1 464.478 2.049 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735114 523916783 /nfs/dbraw/zinc/91/67/83/523916783.db2.gz DPQLLWSCSIPZDB-VWLOTQADSA-N 0 1 467.658 2.480 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734977 523917142 /nfs/dbraw/zinc/91/71/42/523917142.db2.gz NEPFCVQOKQSJAP-DEOSSOPVSA-N 0 1 484.044 2.444 50 10 JECAMN 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COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000065001204 524423633 /nfs/dbraw/zinc/42/36/33/524423633.db2.gz LWRJVKPESOLUBW-OAQYLSRUSA-N 0 1 452.603 2.339 50 10 JECAMN NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000000678068 553751427 /nfs/dbraw/zinc/75/14/27/553751427.db2.gz JFDJMLCOXWQSMX-LDADJPATSA-N 0 1 487.335 2.349 50 10 JECAMN COc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)c1 ZINC000006182007 554515983 /nfs/dbraw/zinc/51/59/83/554515983.db2.gz POIAOLAQNNVVBG-UNOMPAQXSA-N 0 1 453.520 2.372 50 10 JECAMN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000009310982 555087316 /nfs/dbraw/zinc/08/73/16/555087316.db2.gz BPOAKGZGRJKDBQ-GZTJUZNOSA-N 0 1 470.503 2.477 50 10 JECAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1C ZINC000009546085 555340181 /nfs/dbraw/zinc/34/01/81/555340181.db2.gz IKBQMIBGNYXUAD-UHFFFAOYSA-N 0 1 458.496 2.151 50 10 JECAMN O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016034020 556118237 /nfs/dbraw/zinc/11/82/37/556118237.db2.gz BGFKFJZQPNMPCI-YRCDICCDSA-N 0 1 487.487 2.400 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 ZINC000013007958 556199386 /nfs/dbraw/zinc/19/93/86/556199386.db2.gz FISYUKBCFNAIGO-QFIPXVFZSA-N 0 1 464.566 2.367 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@H+](C)CC3)OCO2 ZINC000019361798 556345373 /nfs/dbraw/zinc/34/53/73/556345373.db2.gz XXYOYPCHRJQHRH-OOXMNIKJSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@@H+](C)CC3)OCO2 ZINC000019361798 556345376 /nfs/dbraw/zinc/34/53/76/556345376.db2.gz XXYOYPCHRJQHRH-OOXMNIKJSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000072434246 569704054 /nfs/dbraw/zinc/70/40/54/569704054.db2.gz VEGKVUWQVZNOEF-LJQANCHMSA-N 0 1 462.641 2.217 50 10 JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000100750933 569768830 /nfs/dbraw/zinc/76/88/30/569768830.db2.gz NUISROJODGIQFP-MOKGIYGOSA-N 0 1 472.542 2.085 50 10 biogenic JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000100750933 569768831 /nfs/dbraw/zinc/76/88/31/569768831.db2.gz NUISROJODGIQFP-MOKGIYGOSA-N 0 1 472.542 2.085 50 10 biogenic JECAMN CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)CC1 ZINC000033261570 521698761 /nfs/dbraw/zinc/69/87/61/521698761.db2.gz VHBVQDIYFAYHSU-JOCHJYFZSA-N 0 1 493.656 2.192 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCN(C)CC3)ccc21 ZINC000022734354 523998097 /nfs/dbraw/zinc/99/80/97/523998097.db2.gz IHQPQGXBICXHKF-JOCHJYFZSA-N 0 1 457.525 2.001 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)C3CCN(c4nccc(C)n4)CC3)CC2)cc1 ZINC000065001715 524424216 /nfs/dbraw/zinc/42/42/16/524424216.db2.gz IMETUACKTBEQPL-UHFFFAOYSA-N 0 1 452.603 2.339 50 10 JECAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734983 524462215 /nfs/dbraw/zinc/46/22/15/524462215.db2.gz DDBNHAAOSKHCMT-XMMPIXPASA-N 0 1 465.598 2.121 50 10 JECAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1F ZINC000022734390 525005921 /nfs/dbraw/zinc/00/59/21/525005921.db2.gz YYLAFLRRIRIPIM-HSZRJFAPSA-N 0 1 453.562 2.170 50 10 JECAMN COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022735193 526166546 /nfs/dbraw/zinc/16/65/46/526166546.db2.gz HOEGXLASZVRBGI-DEOSSOPVSA-N 0 1 465.598 2.121 50 10 JECAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958676 556090209 /nfs/dbraw/zinc/09/02/09/556090209.db2.gz IXPGAMUPYUVAMZ-YRCDICCDSA-N 0 1 469.497 2.261 50 10 biogenic JECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016034018 556118287 /nfs/dbraw/zinc/11/82/87/556118287.db2.gz BGFKFJZQPNMPCI-JYYLQKJRSA-N 0 1 487.487 2.400 50 10 JECAMN CCOc1c(I)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O ZINC000008443617 569590589 /nfs/dbraw/zinc/59/05/89/569590589.db2.gz HPXRLDZBQPKUAN-UHFFFAOYSA-N 0 1 465.041 2.202 50 10 JECAMN COC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689567 569689565 /nfs/dbraw/zinc/68/95/65/569689565.db2.gz HHBFSPLVMQOTOZ-XMMPIXPASA-N 0 1 496.564 2.316 50 10 JECAMN CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)CC1 ZINC000072436826 569704111 /nfs/dbraw/zinc/70/41/11/569704111.db2.gz QGNCERDFCWWGNP-UHFFFAOYSA-N 0 1 470.639 2.297 50 10 JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000100750930 569768845 /nfs/dbraw/zinc/76/88/45/569768845.db2.gz NUISROJODGIQFP-NWNNTGRJSA-N 0 1 472.542 2.085 50 10 biogenic JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000100750930 569768847 /nfs/dbraw/zinc/76/88/47/569768847.db2.gz NUISROJODGIQFP-NWNNTGRJSA-N 0 1 472.542 2.085 50 10 biogenic JECAMN COc1ccccc1N1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S ZINC000100799774 569770368 /nfs/dbraw/zinc/77/03/68/569770368.db2.gz HOMXDMNWLZJXOW-DTQAZKPQSA-N 0 1 463.519 2.237 50 10 JECAMN Cc1c(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000101087120 569782069 /nfs/dbraw/zinc/78/20/69/569782069.db2.gz OVVBPQTWTIHWFQ-QINSGFPZSA-N 0 1 451.483 2.367 50 10 JECAMN COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc4oc(=O)ccc4c3)C2=O)cc1OC ZINC000101439778 569797621 /nfs/dbraw/zinc/79/76/21/569797621.db2.gz KKYRGOYJDPKWBG-LGMDPLHJSA-N 0 1 463.446 2.427 50 10 JECAMN CCOCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000102824375 569824184 /nfs/dbraw/zinc/82/41/84/569824184.db2.gz KGGICRJRXOYVPM-FBMGVBCBSA-N 0 1 487.651 2.464 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@H+](C)CC3)OCO2 ZINC000020410803 521891069 /nfs/dbraw/zinc/89/10/69/521891069.db2.gz OATDKCWTINWDON-ZYNFKGNASA-N 0 1 492.532 2.326 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020410803 521891080 /nfs/dbraw/zinc/89/10/80/521891080.db2.gz OATDKCWTINWDON-ZYNFKGNASA-N 0 1 492.532 2.326 50 10 biogenic JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735148 523919280 /nfs/dbraw/zinc/91/92/80/523919280.db2.gz HFTYPPVMWYEFAK-HSZRJFAPSA-N 0 1 453.562 2.252 50 10 JECAMN CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735577 523922510 /nfs/dbraw/zinc/92/25/10/523922510.db2.gz VOTVHIHPNSXZTE-HSZRJFAPSA-N 0 1 486.638 2.107 50 10 JECAMN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022734968 524845930 /nfs/dbraw/zinc/84/59/30/524845930.db2.gz YEWKSBAQEABUHK-DEOSSOPVSA-N 0 1 495.624 2.130 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C ZINC000022735825 525063135 /nfs/dbraw/zinc/06/31/35/525063135.db2.gz XBBIONZWCLWYCF-QHCPKHFHSA-N 0 1 458.628 2.263 50 10 JECAMN CCCCCCn1c(=O)[nH]c2nc3cc(NC=C4C(=O)NC(=O)NC4=O)ccc3nc2c1=O ZINC000020151872 555668934 /nfs/dbraw/zinc/66/89/34/555668934.db2.gz AJZLIOZCGJIIJW-UHFFFAOYSA-N 0 1 451.443 2.128 50 10 JECAMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000023857694 556093098 /nfs/dbraw/zinc/09/30/98/556093098.db2.gz UKKSFOPWKDLFHE-QFIPXVFZSA-N 0 1 467.639 2.444 50 10 JECAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016021987 556114344 /nfs/dbraw/zinc/11/43/44/556114344.db2.gz NZWAHZQUPJZOFJ-QJHDXQOESA-N 0 1 453.470 2.000 50 10 JECAMN COC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204874 569677688 /nfs/dbraw/zinc/67/76/88/569677688.db2.gz UPGZPXAGDXIZKU-JOCHJYFZSA-N 0 1 454.502 2.438 50 10 JECAMN CCOc1cc([C@@H]2NC(=O)N=C(CN3CCN(c4ccc(OC)cc4)CC3)C2C(=O)OC)ccc1O ZINC000067285732 569683437 /nfs/dbraw/zinc/68/34/37/569683437.db2.gz JLGPESBTBJMVCT-DEOSSOPVSA-N 0 1 496.564 2.403 50 10 JECAMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000072434249 569704115 /nfs/dbraw/zinc/70/41/15/569704115.db2.gz VEGKVUWQVZNOEF-IBGZPJMESA-N 0 1 462.641 2.217 50 10 JECAMN O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2o1 ZINC000095475176 569724246 /nfs/dbraw/zinc/72/42/46/569724246.db2.gz DCKKVHCNLXXSHN-GOSISDBHSA-N 0 1 454.548 2.470 50 10 biogenic JECAMN COc1ccc(OC)c(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 ZINC000100587508 569765335 /nfs/dbraw/zinc/76/53/35/569765335.db2.gz YMOBNKQXTQKQFD-GHRIWEEISA-N 0 1 493.545 2.245 50 10 JECAMN CN1C(=O)C(=Cc2cc(Br)c(O)c(I)c2)C(=O)N(C)C1=O ZINC000001206913 194070267 /nfs/dbraw/zinc/07/02/67/194070267.db2.gz HJJZWKBMHNJPGE-UHFFFAOYSA-N 0 1 465.041 2.193 50 10 JECAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000002966792 194184585 /nfs/dbraw/zinc/18/45/85/194184585.db2.gz DHMIPMSOHOMZAJ-UHFFFAOYSA-N 0 1 495.307 2.365 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4C)C1=O)[N@H+](C)CC3)OCO2 ZINC000020411160 521889148 /nfs/dbraw/zinc/88/91/48/521889148.db2.gz YPFSTCHJONPCIR-MUMAZLPKSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020411160 521889161 /nfs/dbraw/zinc/88/91/61/521889161.db2.gz YPFSTCHJONPCIR-MUMAZLPKSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735038 523820795 /nfs/dbraw/zinc/82/07/95/523820795.db2.gz BGTXMQYXKCHNGY-DEOSSOPVSA-N 0 1 479.625 2.429 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735163 523918302 /nfs/dbraw/zinc/91/83/02/523918302.db2.gz ITNDZYMRRPTRFM-QHCPKHFHSA-N 0 1 471.552 2.391 50 10 JECAMN CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735574 523918803 /nfs/dbraw/zinc/91/88/03/523918803.db2.gz VOTVHIHPNSXZTE-QHCPKHFHSA-N 0 1 486.638 2.107 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735154 523919480 /nfs/dbraw/zinc/91/94/80/523919480.db2.gz QMDVZRMFWDJOKP-HSZRJFAPSA-N 0 1 453.562 2.252 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735270 523920333 /nfs/dbraw/zinc/92/03/33/523920333.db2.gz TXPTYYDFEDVCSS-XMMPIXPASA-N 0 1 484.044 2.444 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000022734504 523998683 /nfs/dbraw/zinc/99/86/83/523998683.db2.gz MIPKVOFYRFGTNB-HSZRJFAPSA-N 0 1 470.017 2.053 50 10 JECAMN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022734965 524845646 /nfs/dbraw/zinc/84/56/46/524845646.db2.gz YEWKSBAQEABUHK-XMMPIXPASA-N 0 1 495.624 2.130 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 ZINC000022735598 525063797 /nfs/dbraw/zinc/06/37/97/525063797.db2.gz QQLWFMZJAYZTPR-HSZRJFAPSA-N 0 1 488.654 2.353 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C1=O)[N@H+](C)CC3)OCO2 ZINC000002106983 554046920 /nfs/dbraw/zinc/04/69/20/554046920.db2.gz PRRMHMWHKWJYKF-LPPOOGIUSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000002106983 554046927 /nfs/dbraw/zinc/04/69/27/554046927.db2.gz PRRMHMWHKWJYKF-LPPOOGIUSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCC3)ccc21 ZINC000009135566 554932461 /nfs/dbraw/zinc/93/24/61/554932461.db2.gz DAUVRUZMRXYWRV-QFIPXVFZSA-N 0 1 464.566 2.367 50 10 JECAMN COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1OC ZINC000009463024 555232429 /nfs/dbraw/zinc/23/24/29/555232429.db2.gz YIYRLFJOQLGDMQ-QGOAFFKASA-N 0 1 452.467 2.279 50 10 JECAMN COc1cccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 ZINC000013809720 555624496 /nfs/dbraw/zinc/62/44/96/555624496.db2.gz PXMNRGVOVKIXIP-QGOAFFKASA-N 0 1 463.519 2.237 50 10 JECAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548543 555806779 /nfs/dbraw/zinc/80/67/79/555806779.db2.gz NZWAHZQUPJZOFJ-MDTICMOCSA-N 0 1 453.470 2.000 50 10 JECAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[NH+]1CCN(c3ccc(OC)cc3)CC1)c2=O ZINC000012415769 555977066 /nfs/dbraw/zinc/97/70/66/555977066.db2.gz LRTYBBPPKPWEPU-UHFFFAOYSA-N 0 1 454.552 2.303 50 10 JECAMN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 ZINC000023080591 556006756 /nfs/dbraw/zinc/00/67/56/556006756.db2.gz XQWKJDMTJBRSHY-OAQYLSRUSA-N 0 1 462.616 2.037 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959872 556092134 /nfs/dbraw/zinc/09/21/34/556092134.db2.gz OEZYXBVSAMHHLR-PKVHRPSESA-N 0 1 483.524 2.304 50 10 biogenic JECAMN O=C1Nc2ccc(F)cc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016022057 556114340 /nfs/dbraw/zinc/11/43/40/556114340.db2.gz OKOCAXPIBDFVIT-CCIIEHSASA-N 0 1 465.481 2.143 50 10 JECAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016021988 556114415 /nfs/dbraw/zinc/11/44/15/556114415.db2.gz NZWAHZQUPJZOFJ-XXPWESIGSA-N 0 1 453.470 2.000 50 10 JECAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCOC)C2=O)CC1 ZINC000028629656 556337885 /nfs/dbraw/zinc/33/78/85/556337885.db2.gz OJLXGIJQGXOBBQ-OBGWFSINSA-N 0 1 487.651 2.383 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)CN3c4ccccc4OCCC3=O)CC2)cc1 ZINC000032764247 556488199 /nfs/dbraw/zinc/48/81/99/556488199.db2.gz NOGQVRBVVBXNIJ-UHFFFAOYSA-N 0 1 452.555 2.139 50 10 JECAMN COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414846 569600212 /nfs/dbraw/zinc/60/02/12/569600212.db2.gz SFHVJSQKXSRVDC-QHCPKHFHSA-N 0 1 466.538 2.307 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)CCn3c4ccccc4nc(C)c3=O)CC2)cc1 ZINC000033005242 569614427 /nfs/dbraw/zinc/61/44/27/569614427.db2.gz QUQPFQVRYAFIMD-UHFFFAOYSA-N 0 1 463.582 2.432 50 10 JECAMN CN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1 ZINC000067601790 569688420 /nfs/dbraw/zinc/68/84/20/569688420.db2.gz DTBWNARDXMNOCV-UHFFFAOYSA-N 0 1 493.029 2.043 50 10 JECAMN O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2o1 ZINC000095475177 569724164 /nfs/dbraw/zinc/72/41/64/569724164.db2.gz DCKKVHCNLXXSHN-SFHVURJKSA-N 0 1 454.548 2.470 50 10 biogenic JECAMN COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000101031202 569780153 /nfs/dbraw/zinc/78/01/53/569780153.db2.gz GLJKQQICXASCKT-SSZFMOIBSA-N 0 1 455.467 2.338 50 10 JECAMN COc1cc(CNC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc(OC)c1 ZINC000101089960 569782132 /nfs/dbraw/zinc/78/21/32/569782132.db2.gz QEOPRWTYVRQTTC-RGEXLXHISA-N 0 1 469.494 2.016 50 10 JECAMN O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230466405 570046460 /nfs/dbraw/zinc/04/64/60/570046460.db2.gz QGNHYYMUIXNAOY-QGZVFWFLSA-N 0 1 489.484 2.421 50 10 JECAMN CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022734290 521046873 /nfs/dbraw/zinc/04/68/73/521046873.db2.gz IVIHMBAZCRCOII-DEOSSOPVSA-N 0 1 465.598 2.121 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735151 523917799 /nfs/dbraw/zinc/91/77/99/523917799.db2.gz QMDVZRMFWDJOKP-QHCPKHFHSA-N 0 1 453.562 2.252 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735136 523919524 /nfs/dbraw/zinc/91/95/24/523919524.db2.gz JMCLZKFLXUZLRD-HSZRJFAPSA-N 0 1 471.552 2.391 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000023857763 523999288 /nfs/dbraw/zinc/99/92/88/523999288.db2.gz BLNOIWUDSDJLDZ-QFIPXVFZSA-N 0 1 455.990 2.376 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)CCC(=O)N3CCCn4nc(C)cc43)CC2)cc1 ZINC000021532797 524422947 /nfs/dbraw/zinc/42/29/47/524422947.db2.gz YWMDJUMULRHYFQ-UHFFFAOYSA-N 0 1 468.602 2.046 50 10 JECAMN CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 ZINC000022734301 526109189 /nfs/dbraw/zinc/10/91/89/526109189.db2.gz RJHUCVMBKORYMY-QHCPKHFHSA-N 0 1 467.639 2.444 50 10 JECAMN O=C(c1ccco1)N1CCN(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000002178839 554078841 /nfs/dbraw/zinc/07/88/41/554078841.db2.gz OEFUDZPAMJZGSB-QINSGFPZSA-N 0 1 489.351 2.132 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21 ZINC000008964079 554838282 /nfs/dbraw/zinc/83/82/82/554838282.db2.gz HLOCWSJDPVEIPD-OAQYLSRUSA-N 0 1 450.539 2.342 50 10 JECAMN Cc1nn2c(nc(COc3ccc(/C=C4\C(=O)NN(c5ccccc5)C4=O)cc3)cc2=O)s1 ZINC000020331830 555776916 /nfs/dbraw/zinc/77/69/16/555776916.db2.gz HEVDRGAGZRXLHI-YBFXNURJSA-N 0 1 459.487 2.500 50 10 JECAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016034081 556118398 /nfs/dbraw/zinc/11/83/98/556118398.db2.gz OYWBHZFPCVDCEA-KKBCGBJISA-N 0 1 487.487 2.400 50 10 JECAMN Cc1c(NC=C2C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100773558 569769608 /nfs/dbraw/zinc/76/96/08/569769608.db2.gz WEEXUPRKDOVISY-RGEXLXHISA-N 0 1 463.469 2.240 50 10 JECAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(=O)c1ccco1 ZINC000001118856 194032007 /nfs/dbraw/zinc/03/20/07/194032007.db2.gz FDGZBRULGVFFMH-UHFFFAOYSA-N 0 1 496.213 2.252 50 10 JECAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002950146 194177335 /nfs/dbraw/zinc/17/73/35/194177335.db2.gz MXVLHTNKNXOFFK-UHFFFAOYSA-N 0 1 495.307 2.283 50 10 JECAMN COc1ccc(N2CCN(C(=O)CC[C@@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)cc1 ZINC000002966812 194184355 /nfs/dbraw/zinc/18/43/55/194184355.db2.gz PCQWRSINGFOVDL-FQEVSTJZSA-N 0 1 463.563 2.492 50 10 JECAMN CCOCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000012779265 195123265 /nfs/dbraw/zinc/12/32/65/195123265.db2.gz KGGICRJRXOYVPM-VLGSPTGOSA-N 0 1 487.651 2.464 50 10 JECAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000020611894 195185879 /nfs/dbraw/zinc/18/58/79/195185879.db2.gz LDFXBRDZTOCKRE-IGGVYQGESA-N 0 1 499.523 2.270 50 10 biogenic JECAMN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022735331 519741100 /nfs/dbraw/zinc/74/11/00/519741100.db2.gz ZMYQWNBUCFQBDU-RUZDIDTESA-N 0 1 492.624 2.071 50 10 JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)C1=O ZINC000020410721 520076719 /nfs/dbraw/zinc/07/67/19/520076719.db2.gz NUISROJODGIQFP-WBILKINKSA-N 0 1 472.542 2.085 50 10 JECAMN CCCCCCN1C(=O)[N-]C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)C1=O ZINC000020410721 520076730 /nfs/dbraw/zinc/07/67/30/520076730.db2.gz NUISROJODGIQFP-WBILKINKSA-N 0 1 472.542 2.085 50 10 JECAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 ZINC000012294096 521700919 /nfs/dbraw/zinc/70/09/19/521700919.db2.gz OJLXGIJQGXOBBQ-SDXDJHTJSA-N 0 1 487.651 2.383 50 10 JECAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022734272 523820601 /nfs/dbraw/zinc/82/06/01/523820601.db2.gz PEVDXMBVLUCCRF-QHCPKHFHSA-N 0 1 465.598 2.039 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735132 523918594 /nfs/dbraw/zinc/91/85/94/523918594.db2.gz JMCLZKFLXUZLRD-QHCPKHFHSA-N 0 1 471.552 2.391 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCN(C)CC3)ccc21 ZINC000022734384 523997969 /nfs/dbraw/zinc/99/79/69/523997969.db2.gz BXDDXZPFAWZADH-JOCHJYFZSA-N 0 1 457.525 2.001 50 10 JECAMN COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000021754720 524326319 /nfs/dbraw/zinc/32/63/19/524326319.db2.gz JUQRRXOYDULFGO-FQEVSTJZSA-N 0 1 450.580 2.167 50 10 JECAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000008443053 554592702 /nfs/dbraw/zinc/59/27/02/554592702.db2.gz BURZANHVOMPEDF-MOSHPQCFSA-N 0 1 465.506 2.011 50 10 JECAMN COc1ccc(N2C(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 ZINC000009012389 554864564 /nfs/dbraw/zinc/86/45/64/554864564.db2.gz IPSRTEUZJDBFFI-QGOAFFKASA-N 0 1 463.519 2.237 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)cc1 ZINC000009528423 555322281 /nfs/dbraw/zinc/32/22/81/555322281.db2.gz SKBAYDINSATBIG-QFIPXVFZSA-N 0 1 494.683 2.388 50 10 JECAMN COc1ccccc1N1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S ZINC000013810595 555625870 /nfs/dbraw/zinc/62/58/70/555625870.db2.gz HOMXDMNWLZJXOW-SSZFMOIBSA-N 0 1 463.519 2.237 50 10 JECAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2ccc(O)c(O)c2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015959448 556091333 /nfs/dbraw/zinc/09/13/33/556091333.db2.gz LDFXBRDZTOCKRE-PKVHRPSESA-N 0 1 499.523 2.270 50 10 biogenic JECAMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000023857759 556093296 /nfs/dbraw/zinc/09/32/96/556093296.db2.gz XJKIBKNNIKIRIR-HSZRJFAPSA-N 0 1 465.598 2.121 50 10 JECAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016034019 556118337 /nfs/dbraw/zinc/11/83/37/556118337.db2.gz BGFKFJZQPNMPCI-KKBCGBJISA-N 0 1 487.487 2.400 50 10 JECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016034017 556118404 /nfs/dbraw/zinc/11/84/04/556118404.db2.gz BGFKFJZQPNMPCI-HGXGVQFASA-N 0 1 487.487 2.400 50 10 JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 ZINC000013007954 556199532 /nfs/dbraw/zinc/19/95/32/556199532.db2.gz FISYUKBCFNAIGO-JOCHJYFZSA-N 0 1 464.566 2.367 50 10 JECAMN COC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204871 569677564 /nfs/dbraw/zinc/67/75/64/569677564.db2.gz UPGZPXAGDXIZKU-QFIPXVFZSA-N 0 1 454.502 2.438 50 10 JECAMN CCC[N@H+]1CCc2nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)[n-]c(=O)c2C1 ZINC000067291866 569685905 /nfs/dbraw/zinc/68/59/05/569685905.db2.gz MLTPGLRSGXBQCO-UHFFFAOYSA-N 0 1 457.600 2.400 50 10 JECAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc(OC)c2)C1=O ZINC000102550443 569814241 /nfs/dbraw/zinc/81/42/41/569814241.db2.gz KKNRFTSTJZYYKP-ITICKHJUSA-N 0 1 478.530 2.182 50 10 JECAMN O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217818860 569881792 /nfs/dbraw/zinc/88/17/92/569881792.db2.gz KVRDCKVJPNENMM-KRWDZBQOSA-N 0 1 489.484 2.421 50 10 biogenic JECAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 ZINC000022809562 522242498 /nfs/dbraw/zinc/24/24/98/522242498.db2.gz HNCXXVBFIQHNOL-JOCHJYFZSA-N 0 1 458.006 2.127 50 10 JECAMN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000021754717 524326446 /nfs/dbraw/zinc/32/64/46/524326446.db2.gz JUQRRXOYDULFGO-HXUWFJFHSA-N 0 1 450.580 2.167 50 10 JECAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734986 524459378 /nfs/dbraw/zinc/45/93/78/524459378.db2.gz DDBNHAAOSKHCMT-DEOSSOPVSA-N 0 1 465.598 2.121 50 10 JECAMN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734974 524490556 /nfs/dbraw/zinc/49/05/56/524490556.db2.gz QJFSPUZQXRFICL-RUZDIDTESA-N 0 1 463.626 2.099 50 10 JECAMN COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735273 524582965 /nfs/dbraw/zinc/58/29/65/524582965.db2.gz KAKPYVDJQGFIFF-HSZRJFAPSA-N 0 1 465.598 2.121 50 10 JECAMN O=C1NC(=O)C(=Cc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000016428130 527046535 /nfs/dbraw/zinc/04/65/35/527046535.db2.gz COJAKRSOICFXJU-UHFFFAOYSA-N 0 1 466.410 2.419 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C1=O)[N@H+](C)CC3)OCO2 ZINC000002087775 554032866 /nfs/dbraw/zinc/03/28/66/554032866.db2.gz HOTPAPZVWJPUEF-LPPOOGIUSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000002087775 554032868 /nfs/dbraw/zinc/03/28/68/554032868.db2.gz HOTPAPZVWJPUEF-LPPOOGIUSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1ccc(CN2C(=O)NC(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000009043818 554869675 /nfs/dbraw/zinc/86/96/75/554869675.db2.gz FNMNMAGGCMFWKG-CPNJWEJPSA-N 0 1 461.478 2.067 50 10 JECAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000009379669 555141616 /nfs/dbraw/zinc/14/16/16/555141616.db2.gz XNKPMLCSYDSCQQ-VVZNPABPSA-N 0 1 485.635 2.217 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)c3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1 ZINC000009406988 555168080 /nfs/dbraw/zinc/16/80/80/555168080.db2.gz GRJCZRCHXUSUIG-UHFFFAOYSA-N 0 1 465.510 2.416 50 10 JECAMN CC[C@@H](C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)N1c2cc(C)nn2CCC1=O ZINC000015728728 555969144 /nfs/dbraw/zinc/96/91/44/555969144.db2.gz MKFWWWGDNOZPCM-QFIPXVFZSA-N 0 1 468.602 2.044 50 10 JECAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958675 556090226 /nfs/dbraw/zinc/09/02/26/556090226.db2.gz IXPGAMUPYUVAMZ-KKBCGBJISA-N 0 1 469.497 2.261 50 10 biogenic JECAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016032778 556117086 /nfs/dbraw/zinc/11/70/86/556117086.db2.gz PBDRLXZCKKPBLM-TXDLGXNGSA-N 0 1 461.518 2.394 50 10 biogenic JECAMN COc1ccc(N2CCN(CCCNC(=O)CCCn3nc(C)c4c(C)onc4c3=O)CC2)cc1 ZINC000065330108 569674944 /nfs/dbraw/zinc/67/49/44/569674944.db2.gz GODHQJFRSAFGIH-UHFFFAOYSA-N 0 1 482.585 2.119 50 10 JECAMN CCOc1cc([C@H]2NC(=O)N=C(CN3CCN(c4ccc(OC)cc4)CC3)C2C(=O)OC)ccc1O ZINC000067285730 569683550 /nfs/dbraw/zinc/68/35/50/569683550.db2.gz JLGPESBTBJMVCT-XMMPIXPASA-N 0 1 496.564 2.403 50 10 JECAMN CCOC(=O)C1CCN(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000101328338 569793417 /nfs/dbraw/zinc/79/34/17/569793417.db2.gz JBSUBNDIBIBGNM-RVDMUPIBSA-N 0 1 466.357 2.356 50 10 JECAMN O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000217818794 569881787 /nfs/dbraw/zinc/88/17/87/569881787.db2.gz KVRDCKVJPNENMM-QGZVFWFLSA-N 0 1 489.484 2.421 50 10 biogenic JECAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002966247 194184499 /nfs/dbraw/zinc/18/44/99/194184499.db2.gz IWNPHJNACOSNJG-UHFFFAOYSA-N 0 1 450.856 2.174 50 10 JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@H+](C)CC3)OCO2 ZINC000020410801 521889935 /nfs/dbraw/zinc/88/99/35/521889935.db2.gz OATDKCWTINWDON-LOHYDARVSA-N 0 1 492.532 2.326 50 10 biogenic JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020410801 521889944 /nfs/dbraw/zinc/88/99/44/521889944.db2.gz OATDKCWTINWDON-LOHYDARVSA-N 0 1 492.532 2.326 50 10 biogenic JECAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735035 523820365 /nfs/dbraw/zinc/82/03/65/523820365.db2.gz BGTXMQYXKCHNGY-XMMPIXPASA-N 0 1 479.625 2.429 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735266 523916922 /nfs/dbraw/zinc/91/69/22/523916922.db2.gz TXPTYYDFEDVCSS-DEOSSOPVSA-N 0 1 484.044 2.444 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735123 523920041 /nfs/dbraw/zinc/92/00/41/523920041.db2.gz CFSBGDSLLXYDDI-HSZRJFAPSA-N 0 1 453.562 2.252 50 10 JECAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC ZINC000022735221 524460557 /nfs/dbraw/zinc/46/05/57/524460557.db2.gz SZEZPVVJEFHFSB-QHCPKHFHSA-N 0 1 495.624 2.130 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC ZINC000022735550 525064147 /nfs/dbraw/zinc/06/41/47/525064147.db2.gz DDGDUALLJKPRNO-HSZRJFAPSA-N 0 1 488.654 2.353 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022735562 525064482 /nfs/dbraw/zinc/06/44/82/525064482.db2.gz POWHWRQUTMEBQC-XMMPIXPASA-N 0 1 458.628 2.345 50 10 JECAMN COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1OC ZINC000023080536 556006788 /nfs/dbraw/zinc/00/67/88/556006788.db2.gz AMSQYYKAWFXTJC-NRFANRHFSA-N 0 1 456.587 2.497 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958673 556090229 /nfs/dbraw/zinc/09/02/29/556090229.db2.gz IXPGAMUPYUVAMZ-HGXGVQFASA-N 0 1 469.497 2.261 50 10 biogenic JECAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959871 556092164 /nfs/dbraw/zinc/09/21/64/556092164.db2.gz OEZYXBVSAMHHLR-BMEWAZJXSA-N 0 1 483.524 2.304 50 10 biogenic JECAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016034082 556118316 /nfs/dbraw/zinc/11/83/16/556118316.db2.gz OYWBHZFPCVDCEA-YRCDICCDSA-N 0 1 487.487 2.400 50 10 JECAMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 ZINC000017179683 556234379 /nfs/dbraw/zinc/23/43/79/556234379.db2.gz DGZWSUZGKURVNN-BCUAHEQISA-N 0 1 476.489 2.396 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CC2)cc1 ZINC000013109855 556310091 /nfs/dbraw/zinc/31/00/91/556310091.db2.gz ZNXZSPQIBWJCAW-UHFFFAOYSA-N 0 1 461.566 2.293 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)CC2)cc1 ZINC000064775906 569627721 /nfs/dbraw/zinc/62/77/21/569627721.db2.gz HGYGPTZLKHXSOC-UHFFFAOYSA-N 0 1 488.592 2.225 50 10 JECAMN CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000072436845 569704130 /nfs/dbraw/zinc/70/41/30/569704130.db2.gz LFZJXMWFUJVFFO-UHFFFAOYSA-N 0 1 488.629 2.436 50 10 JECAMN Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)NCCO)cc1 ZINC000101114388 569783480 /nfs/dbraw/zinc/78/34/80/569783480.db2.gz BUYJHNHMLPCOMK-LDADJPATSA-N 0 1 479.356 2.438 50 10 JECAMN COc1cccc([C@@H]2[NH2+][C@](Cc3cnc[nH]3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1O ZINC000103003877 569831361 /nfs/dbraw/zinc/83/13/61/569831361.db2.gz ZXWDWYSITBIUGA-YDLHNXBPSA-N 0 1 496.907 2.294 50 10 JECAMN COc1ccc(C(=O)Oc2c(Br)cc(C=C3C(=O)NC(=O)NC3=O)cc2OC)cc1 ZINC000001198366 194068138 /nfs/dbraw/zinc/06/81/38/194068138.db2.gz SZOOSFPHCYMOLC-UHFFFAOYSA-N 0 1 475.251 2.435 50 10 JECAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 ZINC000022735842 521202645 /nfs/dbraw/zinc/20/26/45/521202645.db2.gz ONKUNPFHVAOPNM-DEOSSOPVSA-N 0 1 458.628 2.345 50 10 JECAMN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022734269 523820780 /nfs/dbraw/zinc/82/07/80/523820780.db2.gz PEVDXMBVLUCCRF-HSZRJFAPSA-N 0 1 465.598 2.039 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735145 523918712 /nfs/dbraw/zinc/91/87/12/523918712.db2.gz HFTYPPVMWYEFAK-QHCPKHFHSA-N 0 1 453.562 2.252 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21 ZINC000008964080 523999224 /nfs/dbraw/zinc/99/92/24/523999224.db2.gz HLOCWSJDPVEIPD-NRFANRHFSA-N 0 1 450.539 2.342 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCN(C)CC3)ccc21 ZINC000022734381 523999490 /nfs/dbraw/zinc/99/94/90/523999490.db2.gz BXDDXZPFAWZADH-QFIPXVFZSA-N 0 1 457.525 2.001 50 10 JECAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 ZINC000022735098 524458803 /nfs/dbraw/zinc/45/88/03/524458803.db2.gz WOBJIGBRKCHSNQ-DEOSSOPVSA-N 0 1 495.624 2.130 50 10 JECAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 ZINC000022735095 524461278 /nfs/dbraw/zinc/46/12/78/524461278.db2.gz WOBJIGBRKCHSNQ-XMMPIXPASA-N 0 1 495.624 2.130 50 10 JECAMN COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022735189 526167811 /nfs/dbraw/zinc/16/78/11/526167811.db2.gz HOEGXLASZVRBGI-XMMPIXPASA-N 0 1 465.598 2.121 50 10 JECAMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000002398580 554184164 /nfs/dbraw/zinc/18/41/64/554184164.db2.gz XMUJTSUSXWGJEM-ITICKHJUSA-N 0 1 462.531 2.482 50 10 JECAMN O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009433889 555204332 /nfs/dbraw/zinc/20/43/32/555204332.db2.gz GHNKANYQAUDYJU-XDJHFCHBSA-N 0 1 450.451 2.136 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)Cn3nc(C)n4c5ccsc5cc4c3=O)CC2)cc1 ZINC000009848490 555550907 /nfs/dbraw/zinc/55/09/07/555550907.db2.gz LRTOFYLNEGPLEV-UHFFFAOYSA-N 0 1 494.621 2.356 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)cc4)C1=O)[N@H+](C)CC3)OCO2 ZINC000020113055 555650770 /nfs/dbraw/zinc/65/07/70/555650770.db2.gz ANTPLNOCOIBJHL-ZKTNYTPDSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)cc4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000020113055 555650774 /nfs/dbraw/zinc/65/07/74/555650774.db2.gz ANTPLNOCOIBJHL-ZKTNYTPDSA-N 0 1 478.505 2.018 50 10 biogenic JECAMN COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC ZINC000023080595 556007048 /nfs/dbraw/zinc/00/70/48/556007048.db2.gz RIHLIENNUUKHBQ-OAQYLSRUSA-N 0 1 462.616 2.037 50 10 JECAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959874 556092175 /nfs/dbraw/zinc/09/21/75/556092175.db2.gz OEZYXBVSAMHHLR-IGGVYQGESA-N 0 1 483.524 2.304 50 10 biogenic JECAMN Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016022135 556114676 /nfs/dbraw/zinc/11/46/76/556114676.db2.gz ZLTOLWCUPRACIL-AHQSTGFLSA-N 0 1 461.518 2.312 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016032776 556117089 /nfs/dbraw/zinc/11/70/89/556117089.db2.gz PBDRLXZCKKPBLM-AHQSTGFLSA-N 0 1 461.518 2.394 50 10 biogenic JECAMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000017179686 556234461 /nfs/dbraw/zinc/23/44/61/556234461.db2.gz DGZWSUZGKURVNN-LELXDKESSA-N 0 1 476.489 2.396 50 10 JECAMN COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414631 569600003 /nfs/dbraw/zinc/60/00/03/569600003.db2.gz BDGZHTFTFQLETJ-HSZRJFAPSA-N 0 1 466.538 2.307 50 10 JECAMN Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000065363147 569675256 /nfs/dbraw/zinc/67/52/56/569675256.db2.gz IMKPXQYQIGQGIJ-UHFFFAOYSA-N 0 1 456.612 2.461 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@H+](C)CC3)OCO2 ZINC000104032298 569840027 /nfs/dbraw/zinc/84/00/27/569840027.db2.gz OATDKCWTINWDON-WAGPWIPHSA-N 0 1 492.532 2.326 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000104032298 569840028 /nfs/dbraw/zinc/84/00/28/569840028.db2.gz OATDKCWTINWDON-WAGPWIPHSA-N 0 1 492.532 2.326 50 10 JECAMN CCCC[N@@H+](CC)Cc1c(-c2ccccc2O)[n-]n(C(=O)c2ccccc2S(N)(=O)=O)c1=O ZINC000248234908 570076469 /nfs/dbraw/zinc/07/64/69/570076469.db2.gz MEWUVHBVRUHDIW-SFHVURJKSA-N 0 1 472.567 2.165 50 10 JECAMN CCCC[N@H+](CC)Cc1c([O-])n(C(=O)c2ccccc2S(N)(=O)=O)nc1-c1ccccc1O ZINC000248234908 570076470 /nfs/dbraw/zinc/07/64/70/570076470.db2.gz MEWUVHBVRUHDIW-SFHVURJKSA-N 0 1 472.567 2.165 50 10 JECAMN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022735334 519721455 /nfs/dbraw/zinc/72/14/55/519721455.db2.gz XPILOEDATZOBFL-VWLOTQADSA-N 0 1 492.624 2.071 50 10 JECAMN CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)CC1 ZINC000033261571 521698604 /nfs/dbraw/zinc/69/86/04/521698604.db2.gz VHBVQDIYFAYHSU-QFIPXVFZSA-N 0 1 493.656 2.192 50 10 JECAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000033621908 521701067 /nfs/dbraw/zinc/70/10/67/521701067.db2.gz XNKPMLCSYDSCQQ-KXGFGANYSA-N 0 1 485.635 2.217 50 10 JECAMN CN1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735117 523919226 /nfs/dbraw/zinc/91/92/26/523919226.db2.gz DPQLLWSCSIPZDB-RUZDIDTESA-N 0 1 467.658 2.480 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCN(C)CC3)ccc21 ZINC000022734351 523999375 /nfs/dbraw/zinc/99/93/75/523999375.db2.gz IHQPQGXBICXHKF-QFIPXVFZSA-N 0 1 457.525 2.001 50 10 JECAMN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022735547 524877426 /nfs/dbraw/zinc/87/74/26/524877426.db2.gz UNSVUVBHFCHMAS-QHCPKHFHSA-N 0 1 488.654 2.353 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 ZINC000022735602 525061997 /nfs/dbraw/zinc/06/19/97/525061997.db2.gz QQLWFMZJAYZTPR-QHCPKHFHSA-N 0 1 488.654 2.353 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@H+](C)CC3)OCO2 ZINC000002091323 554034620 /nfs/dbraw/zinc/03/46/20/554034620.db2.gz XXYOYPCHRJQHRH-IDKBZEPQSA-N 0 1 498.923 2.363 50 10 JECAMN COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=O)N(c4ccccc4Cl)C1=O)[N@@H+](C)CC3)OCO2 ZINC000002091323 554034623 /nfs/dbraw/zinc/03/46/23/554034623.db2.gz XXYOYPCHRJQHRH-IDKBZEPQSA-N 0 1 498.923 2.363 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)Cn3ncc4c5ccccc5n(C)c4c3=O)CC2)cc1 ZINC000008932975 554826663 /nfs/dbraw/zinc/82/66/63/554826663.db2.gz BKHUDLQBKAWEFE-UHFFFAOYSA-N 0 1 488.592 2.225 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000009519945 555318631 /nfs/dbraw/zinc/31/86/31/555318631.db2.gz RQYFCGUPUCNTNZ-FQEVSTJZSA-N 0 1 451.571 2.312 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958674 556090326 /nfs/dbraw/zinc/09/03/26/556090326.db2.gz IXPGAMUPYUVAMZ-JYYLQKJRSA-N 0 1 469.497 2.261 50 10 biogenic JECAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCN(C)CC3)ccc21 ZINC000023857765 556093309 /nfs/dbraw/zinc/09/33/09/556093309.db2.gz BLNOIWUDSDJLDZ-JOCHJYFZSA-N 0 1 455.990 2.376 50 10 JECAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016022054 556114425 /nfs/dbraw/zinc/11/44/25/556114425.db2.gz OKOCAXPIBDFVIT-ZPIFVSINSA-N 0 1 465.481 2.143 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016032775 556116973 /nfs/dbraw/zinc/11/69/73/556116973.db2.gz PBDRLXZCKKPBLM-MPWBWRNSSA-N 0 1 461.518 2.394 50 10 biogenic JECAMN NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 ZINC000017150099 556227676 /nfs/dbraw/zinc/22/76/76/556227676.db2.gz JFDJMLCOXWQSMX-PDGQHHTCSA-N 0 1 487.335 2.349 50 10 JECAMN CN(c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000067603997 569688697 /nfs/dbraw/zinc/68/86/97/569688697.db2.gz HBUBXAVVCINAJE-UHFFFAOYSA-N 0 1 450.992 2.418 50 10 JECAMN CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)CC1 ZINC000072434147 569704029 /nfs/dbraw/zinc/70/40/29/569704029.db2.gz HGFCYYKKSQDHAK-UHFFFAOYSA-N 0 1 488.629 2.436 50 10 JECAMN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2)cc1 ZINC000072436824 569704037 /nfs/dbraw/zinc/70/40/37/569704037.db2.gz JAQXYLWGZISRBW-OAQYLSRUSA-N 0 1 486.638 2.164 50 10 JECAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735139 523916296 /nfs/dbraw/zinc/91/62/96/523916296.db2.gz BVOFNVLIOWXZKM-QHCPKHFHSA-N 0 1 471.552 2.391 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCN(C)CC3)ccc21 ZINC000022734217 523998135 /nfs/dbraw/zinc/99/81/35/523998135.db2.gz PUVBCOCWXCUQJX-QHCPKHFHSA-N 0 1 470.017 2.053 50 10 JECAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCN(C)CC3)ccc21 ZINC000022734357 523999695 /nfs/dbraw/zinc/99/96/95/523999695.db2.gz MWAUBWLJZVKGFY-QFIPXVFZSA-N 0 1 457.525 2.001 50 10 JECAMN CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 ZINC000022734298 526109741 /nfs/dbraw/zinc/10/97/41/526109741.db2.gz RJHUCVMBKORYMY-HSZRJFAPSA-N 0 1 467.639 2.444 50 10 JECAMN COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1C=C1C(=O)NC(=O)NC1=O)OCO2 ZINC000008994657 554854626 /nfs/dbraw/zinc/85/46/26/554854626.db2.gz PVSWCIQNCLYJJV-UHFFFAOYSA-N 0 1 451.435 2.328 50 10 biogenic JECAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCC3)ccc21 ZINC000009135565 554932457 /nfs/dbraw/zinc/93/24/57/554932457.db2.gz DAUVRUZMRXYWRV-JOCHJYFZSA-N 0 1 464.566 2.367 50 10 JECAMN COc1ccc(N2CCN(CCCNC(=O)[C@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)cc1 ZINC000009528424 555322566 /nfs/dbraw/zinc/32/25/66/555322566.db2.gz SKBAYDINSATBIG-JOCHJYFZSA-N 0 1 494.683 2.388 50 10 JECAMN Cc1c(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000013810153 555625131 /nfs/dbraw/zinc/62/51/31/555625131.db2.gz OVVBPQTWTIHWFQ-NTCAYCPXSA-N 0 1 451.483 2.367 50 10 JECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(OC)c1 ZINC000022937856 555991054 /nfs/dbraw/zinc/99/10/54/555991054.db2.gz IMZDLMDYGOUOPP-NRFANRHFSA-N 0 1 462.616 2.037 50 10 JECAMN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000023857761 556093147 /nfs/dbraw/zinc/09/31/47/556093147.db2.gz XJKIBKNNIKIRIR-QHCPKHFHSA-N 0 1 465.598 2.121 50 10 JECAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016022134 556114733 /nfs/dbraw/zinc/11/47/33/556114733.db2.gz ZLTOLWCUPRACIL-TXDLGXNGSA-N 0 1 461.518 2.312 50 10 JECAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016034079 556118410 /nfs/dbraw/zinc/11/84/10/556118410.db2.gz OYWBHZFPCVDCEA-HGXGVQFASA-N 0 1 487.487 2.400 50 10 JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C1=O)[N@H+](C)CC3)OCO2 ZINC000019361097 556345436 /nfs/dbraw/zinc/34/54/36/556345436.db2.gz PRRMHMWHKWJYKF-RNIVLKNTSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C1=O)[N@@H+](C)CC3)OCO2 ZINC000019361097 556345438 /nfs/dbraw/zinc/34/54/38/556345438.db2.gz PRRMHMWHKWJYKF-RNIVLKNTSA-N 0 1 498.923 2.363 50 10 biogenic JECAMN Cc1c(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100762339 569769120 /nfs/dbraw/zinc/76/91/20/569769120.db2.gz YCPXPVGVIATYIF-SFQUDFHCSA-N 0 1 451.483 2.367 50 10 JECAMN